Improved ammonia gas adsorption of surface engineered WS2 nanoflakes

Recent investigations into nanostructured WS2 have shown promising results in the detection of reducing gases, such as ammonia. However, this material faces limitations with respect to the vital parameters such as sensitivity, recovery, and repeatability over an extended period in its purest form. To address these challenges, a low-energy (5 keV) argon ion beam was used to irradiate nanostructured WS2 nanoflakes at various fluences, leading to observable morphological and structural changes. The irradiation of WS2 resulted in a significant enhancement in its ability to detect ammonia gas. The sensing response saw a threefold increase, and both the response and recovery times were reduced significantly compared to pristine samples. Ion beam irradiation changes the overall morphology of nanoflakes and induces a certain degree of defects as apparent from electron microscopy, X-ray diffraction, Raman spectroscopy, and X-ray photoelectron spectroscopy studies. The ion-solid interaction simulation predicts a larger amount of sulfur vacancy than tungsten due to irradiation, which is also supported by experimental results. Density functional theory predicts that sulfur vacancy leads a decisive role in better adsorption of ammonia than the pristine surface. The NH3 molecule orients towards the defective surface leading to a higher charge transfer from the NH3 molecule to the surface than the pristine surface along with a smaller adsorption height.